ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate

C16H23FO3 — CID 90418160

IUPACethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(O)cc1CCC(C)C
InChIInChI=1S/C16H23FO3/c1-4-20-16(19)8-7-12-9-14(17)15(18)10-13(12)6-5-11(2)3/h9-11,18H,4-8H2,1-3H3
InChIKeyKUHUGHUFFGOCNS-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.62
Rot. Bonds7

About ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate

ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate (PubChem CID 90418160) has the molecular formula C16H23FO3 and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate
PubChem CID90418160
Molecular FormulaC16H23FO3
Molecular Weight282.36 g/mol
Exact Mass282.16
IUPAC Nameethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(O)cc1CCC(C)C
InChIInChI=1S/C16H23FO3/c1-4-20-16(19)8-7-12-9-14(17)15(18)10-13(12)6-5-11(2)3/h9-11,18H,4-8H2,1-3H3
InChIKeyKUHUGHUFFGOCNS-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683
ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641174
ethyl 3-(2-bromo-3-fluoro-6-hydroxyphenyl)propanoate
CID 155580080
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
2-methylpropyl 3-(3-fluoro-2-hydroxyphenyl)propanoate
CID 167520753
ethyl 3-(3,5-difluorophenyl)propanoate
CID 15209345
ethyl 3-(3-chloronaphthalen-1-yl)propanoate
CID 175159774
ethyl 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]-5-oxopentanoate
CID 54397227
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate (CID 90418160) is ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate is CCOC(=O)CCc1cc(F)c(O)cc1CCC(C)C.
What is the InChIKey of ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate?
The InChIKey is KUHUGHUFFGOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3/c1-4-20-16(19)8-7-12-9-14(17)15(18)10-13(12)6-5-11(2)3/h9-11,18H,4-8H2,1-3H3.
What are the key properties of ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate?
ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate has a molecular weight of 282.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-fluoro-4-hydroxy-2-(3-methylbutyl)phenyl]propanoate is sourced from PubChem (CID 90418160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).